SCHEMBL4041916

SCHEMBL4041916

Clc1ccc2c(c1)CCc1cc(Cl)ccc1C2=CBr

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
SRD5A1 P18405 3/20 0.47
SRD5A2 P31213 2/20 0.47
CYP19A1 P11511 6/20 0.46
CYP11B1 P15538 6/20 0.46
CYP11B2 P19099 6/20 0.46
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
METAP1 P53582 1/20 0.38
TYMS P04818 1/20 0.38
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
ADRB2 P07550 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
ABCB1 P08183 1/20 0.36
HTR1A P08908 1/20 0.36
CHRM5 P08912 1/20 0.36
ADRA2A P08913 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4036590 0.91 HTT (0.44) HTTSRD5A1SRD5A2CYP19A1CYP11B1
SCHEMBL4036595 0.91 HTT (0.44) HTTSRD5A1SRD5A2CYP19A1CYP11B1
SCHEMBL4161951 0.91 HTT (0.44) HTTSRD5A1SRD5A2CYP19A1CYP11B1
SCHEMBL4156260 0.80 MAOB (0.41) HTTHTR2AHTR2CHTR2BMEN1
SCHEMBL4156261 0.80 MAOB (0.41) HTTHTR2AHTR2CHTR2BMEN1
SCHEMBL15282381 0.80 SRD5A1 (0.64) HTTSRD5A1SRD5A2CYP19A1CYP11B1
SCHEMBL4163552 0.80 HRH1 (0.56) HTR2AHTR2CHTR2BMEN1LMNA
SCHEMBL4163549 0.80 HRH1 (0.56) HTR2AHTR2CHTR2BMEN1LMNA
SCHEMBL4045716 0.76 CYP11B2 (0.46) SRD5A1CYP19A1CYP11B1CYP11B2
SCHEMBL22147102 0.73 MAOB (0.44) HTTSRD5A1SRD5A2CYP19A1CYP11B1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
EP-1519915-B1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS LILLY CO ELI (US) 2009-05-27 EP disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2006-03-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS NR5A1, NR3C2, NR3C1 HTT 3630/4885SRD5A1 35/4885SRD5A2 38/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 HTT 3508/4885SRD5A1 41/4885SRD5A2 40/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.